7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C25H25FN2O3S — CID 155534747

IUPAC7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCOc1c(Cc2cccc(C)c2C)cc(=O)n2c1SCC2C(=O)Nc1cc(C)cc(F)c1
InChIInChI=1S/C25H25FN2O3S/c1-14-8-19(26)12-20(9-14)27-24(30)21-13-32-25-23(31-4)18(11-22(29)28(21)25)10-17-7-5-6-15(2)16(17)3/h5-9,11-12,21H,10,13H2,1-4H3,(H,27,30)
InChIKeyKVTFNFVGXFENKP-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.80
Rot. Bonds5

About 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 155534747) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID155534747
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC Name7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCOc1c(Cc2cccc(C)c2C)cc(=O)n2c1SCC2C(=O)Nc1cc(C)cc(F)c1
InChIInChI=1S/C25H25FN2O3S/c1-14-8-19(26)12-20(9-14)27-24(30)21-13-32-25-23(31-4)18(11-22(29)28(21)25)10-17-7-5-6-15(2)16(17)3/h5-9,11-12,21H,10,13H2,1-4H3,(H,27,30)
InChIKeyKVTFNFVGXFENKP-UHFFFAOYSA-N
XLogP4.80
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 155534747) is 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is COc1c(Cc2cccc(C)c2C)cc(=O)n2c1SCC2C(=O)Nc1cc(C)cc(F)c1.
What is the InChIKey of 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is KVTFNFVGXFENKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-14-8-19(26)12-20(9-14)27-24(30)21-13-32-25-23(31-4)18(11-22(29)28(21)25)10-17-7-5-6-15(2)16(17)3/h5-9,11-12,21H,10,13H2,1-4H3,(H,27,30).
What are the key properties of 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethylphenyl)methyl]-N-(3-fluoro-5-methylphenyl)-8-methoxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155534747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).